CID 629096

Glyceofuran

Structural Information

Molecular Formula
C20H18O6
SMILES
CC(C)(C1=CC2=CC3=C(C=C2O1)OCC4(C3OC5=C4C=CC(=C5)O)O)O
InChI
InChI=1S/C20H18O6/c1-19(2,22)17-6-10-5-12-15(8-14(10)25-17)24-9-20(23)13-4-3-11(21)7-16(13)26-18(12)20/h3-8,18,21-23H,9H2,1-2H3
InChIKey
FLURXOFTUKXKQN-UHFFFAOYSA-N
Compound name
6-(2-hydroxypropan-2-yl)-7,11,20-trioxapentacyclo[11.7.0.02,10.04,8.014,19]icosa-2(10),3,5,8,14(19),15,17-heptaene-13,17-diol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4
Patents

354.11035 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 177.6
[M+Na]+ 377.09957 188.5
[M-H]- 353.10307 184.5
[M+NH4]+ 372.14417 194.7
[M+K]+ 393.07351 187.0
[M+H-H2O]+ 337.10761 174.5
[M+HCOO]- 399.10855 189.3
[M+CH3COO]- 413.12420 189.3
[M+Na-2H]- 375.08502 185.1
[M]+ 354.10980 183.8
[M]- 354.11090 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe